Information card for entry 4348881

Structure parameters

• Formula: C10 H2 F9 N2 Se2
• Calculated formula: C10 H2 F9 N2 Se2
• SMILES: [Se]1[Se][N]C(=N1)c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.
• Authors of publication: Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11747 - 11759
• a: 9.3532 ± 0.0009 Å
• b: 14.888 ± 0.0015 Å
• c: 16.8973 ± 0.0011 Å
• α: 112.901 ± 0.005°
• β: 97.942 ± 0.006°
• γ: 102.909 ± 0.005°
• Cell volume: 2045.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No